Geometry & MOs

Info

ID:	333890
PubChem CID:	127252442
Reduced:	FNO2C30H38 (1)
Stoich.:	ABC2D30E38 (1)
Weight, g/mol:	390.17102
ΔH_f, kcal/mol:	-146.77
Dipole, Da:	4.4
IP(EA), eV:	-9.13(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4S,4aR,6S,8aR)-4-acetamido-2-(4-chlorophenyl)-4,7-dimethyl-2,3,4a,5,6,8a-hexahydrochromen-6-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@H](C1)O[C@@H](C[C@]2(C)NC(=O)C3CCCCC3)C4=CC=CC(=C4)C5=CC=CC=C5F

DOS

IR

Vibrations