Geometry & MOs

Info

ID:	235420
PubChem CID:	92708746
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	4.19
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3F

DOS

IR

Vibrations