Geometry & MOs

Info

ID:	235417
PubChem CID:	92708732
Reduced:	SN3O5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	5.03
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)C4=CC=NO4)C

DOS

IR

Vibrations