Geometry & MOs

Info

ID:	187946
PubChem CID:	77646267
Reduced:	NSO7C36H41 (1)
Stoich.:	ABC7D36E41 (1)
Weight, g/mol:	448.308979
ΔH_f, kcal/mol:	-248.42
Dipole, Da:	4.86
IP(EA), eV:	-8.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,19,20-trimethyl-18-(3-phenylpropyl)-15-oxa-14,20-diazapentacyclo[14.3.1.04,9.05,19.08,12]icos-17-en-13-one

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)C3CN(C(=O)O3)CCC4=CC5=C(C=C4)OCC(O5)COCC6=CC(=CC=C6)SC7CCCC7)C

DOS

IR

Vibrations