Geometry & MOs

Info

ID:	43975
PubChem CID:	10322632
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	473.191918
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	6.07
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[2-[[N-(benzenesulfonyl)-N'-methylcarbamimidoyl]amino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations