Geometry & MOs

Info

ID:	150186
PubChem CID:	53789873
Reduced:	NS2O7C32H37 (1)
Stoich.:	AB2C7D32E37 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-247.96
Dipole, Da:	5.8
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-N-quinolin-6-ylcarbamate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)OC1=CC(=C(C=C1C)SC2C(=O)CC(OC2=O)(CCC3=CC=C(C=C3)O)C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations