Geometry & MOs

Info

ID:	33512
PubChem CID:	7886793
Reduced:	OS2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	404.134068
ΔH_f, kcal/mol:	21.11
Dipole, Da:	5.16
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(cyclohexylcarbamoyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations