Geometry & MOs

Info

ID:	238015
PubChem CID:	92728807
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	435.15764
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	4.7
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)[C@@H]2CCCN(C2)C3=CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations