Geometry & MOs

Info

ID:	43446
PubChem CID:	10321310
Reduced:	NS2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-157.2
Dipole, Da:	5.69
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(6aR,9R)-2-tert-butyl-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)CSC(=O)C

DOS

IR

Vibrations