Geometry & MOs

Info

ID:

161414

PubChem CID:

57391599

Reduced:

PSN17O24C69H110 (1)

Stoich.:

ABC17D24E69F110 (1)

Weight, g/mol:

356.134777

ΔHf, kcal/mol:

-1198.46

Dipole, Da:

7.86

IP(EA), eV:

 -8.94(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3R)-1-(3-hydroxypropyl)-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)OP(=O)(O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)N

DOS

IR

Vibrations