Geometry & MOs

Info

ID:	133062
PubChem CID:	51471353
Reduced:	O2N7H22C23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	85.54
Dipole, Da:	8.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765174
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(carbamoylamino)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C\NCCC3=C[NH+]=CN3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations