Geometry & MOs

Info

ID:	174816
PubChem CID:	75819411
Reduced:	SN4O4C20H27 (1)
Stoich.:	AB4C4D20E27 (1)
Weight, g/mol:	418.167477
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.057967
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=CC=C(C=C1)CC(=O)NCC(=O)OC)C2=CC=CS2

DOS

IR

Vibrations