Geometry & MOs

Info

ID:	219475
PubChem CID:	85148731
Reduced:	NSiO3C32H39 (1)
Stoich.:	ABC3D32E39 (1)
Weight, g/mol:	513.21026
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-(benzylamino)-4-oxobutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(CC1NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations