Geometry & MOs

Info

ID:

297341

PubChem CID:

117615440

Reduced:

PSN16O19C95H123 (1)

Stoich.:

ABC16D19E95F123 (1)

Weight, g/mol:

331.178358

ΔHf, kcal/mol:

-598.51

Dipole, Da:

35.72

IP(EA), eV:

 -6.88(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[[(2Z,5Z,7Z)-2,3-dimethyl-4-methylidenecyclonona-2,5,7-trien-1-yl]methoxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CC2=CC=CC=C2)C)CC3=CC=CC=C3)C(=O)NCC(=O)N)CC(C)C)CC4=CC=C(C=C4)O)CC5=CNC6=CC=CC=C65)C)CC7=CC(=C(C=C7)OC)OC)CC8=CC=CC=C8)C)C(C)C)CC(=P)O)C

DOS

IR

Vibrations