Geometry & MOs

Info

ID:

297518

PubChem CID:

117619483

Reduced:

N4O9C33H44 (3)

Stoich.:

A4B9C33D44 (3)

Weight, g/mol:

535.235873

ΔHf, kcal/mol:

-1069.66

Dipole, Da:

9.45

IP(EA), eV:

 -8.53(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[4-methyl-2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-dioxan-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)NCCOCCOCCOCCOCCC(=O)NCC#CC2=CC(=CC(=C2)COC3=C(C=C4C(=C3)N([C@H]([C@@H]5CC(=C)CN5C4=O)OC6CCCCO6)C(=O)OC(C)(C)C)OC)COC7=C(C=C8C(=C7)N([C@H]([C@@H]9CC(=C)CN9C8=O)OC1CCCCO1)C(=O)OC(C)(C)C)OC)NC(=O)CCCCCN1C(=O)C=CC1=O

DOS

IR

Vibrations