Geometry & MOs

Info

ID:	68986
PubChem CID:	46514774
Reduced:	FSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-212.51
Dipole, Da:	2.72
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC(CC(=O)OC)C2=CC=CS2)C3=CC=C(C=C3)F

DOS

IR

Vibrations