Geometry & MOs

Info

ID:	710
PubChem CID:	3237
Reduced:	N4O8C21H38 (1)
Stoich.:	A4B8C21D38 (1)
Weight, g/mol:	474.268964
ΔH_f, kcal/mol:	-413.19
Dipole, Da:	12.53
IP(EA), eV:	-9.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[(3-amino-2-hydroxy-5-methylhexanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N

DOS

IR

Vibrations