Geometry & MOs

Info

ID:	84161
PubChem CID:	49864680
Reduced:	N3O4C15H29 (1)
Stoich.:	A3B4C15D29 (1)
Weight, g/mol:	452.220575
ΔH_f, kcal/mol:	-227.45
Dipole, Da:	8.19
IP(EA), eV:	-9.97(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)O)N

DOS

IR

Vibrations