Geometry & MOs

Info

ID:	235419
PubChem CID:	92708739
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	0.54
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[1-[(2-fluorophenyl)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=C(C=CC(=C3)C)C

DOS

IR

Vibrations