Geometry & MOs

Info

ID:	234731
PubChem CID:	92303398
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	402.386166
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	4.31
IP(EA), eV:	-8.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,8S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]tetracyclo[9.7.0.02,8.012,16]octadecan-6-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)N/N=C(\C)/C1=CC=C(C=C1)N2C(=O)[C@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations