Geometry & MOs

Info

ID:	38666
PubChem CID:	8137371
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	5.97
Dipole, Da:	4.49
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)NC3CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations