Geometry & MOs

Info

ID:	33522
PubChem CID:	7886824
Reduced:	O2S2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	411.143905
ΔH_f, kcal/mol:	-13.88
Dipole, Da:	5.24
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methyl-6-propan-2-ylphenyl)-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

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations