Geometry & MOs

Info

ID:	161511
PubChem CID:	57391854
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	517.206899
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	5.77
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(4-amino-5-sulfanylpent-2-enyl)-4-naphthalen-1-yloxypyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations