Geometry & MOs

Info

ID:	33786
PubChem CID:	7888101
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	404.053231
ΔH_f, kcal/mol:	-172.45
Dipole, Da:	4.3
IP(EA), eV:	-8.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-chloropyridin-2-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations