Geometry & MOs

Info

ID:	34002
PubChem CID:	7889356
Reduced:	S2O3N5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	310.055818
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	2.47
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-carbamoyl-3-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CSC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations