Geometry & MOs

Info

ID:	149875
PubChem CID:	53789555
Reduced:	N6O8C25H35 (1)
Stoich.:	A6B8C25D35 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-296.55
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881282
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-[carbamimidoyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(CC(=O)OC)C(=C[N+]#N)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

DOS

IR

Vibrations