Geometry & MOs

Info

ID:	299214
PubChem CID:	117681098
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	431.278407
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	4.8
IP(EA), eV:	-9.8(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-3-[(2S,4S)-2-cyano-4-methylpyrrolidin-1-yl]-1-(3-hydroxy-1-adamantyl)-2-oxopropyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](N(C1)C(=O)[C@H](C23CC4CC(C2)CC(C4)(C3)O)NC(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations