Geometry & MOs

Info

ID:	136039
PubChem CID:	51969910
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	435.074505
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	1.41
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[(4S)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]2C(=C(N(C(=O)N2)C3CC3)C)C(=O)OC

DOS

IR

Vibrations