Geometry & MOs

Info

ID:	327315
PubChem CID:	126689502
Reduced:	N3O5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-248.04
Dipole, Da:	6.12
IP(EA), eV:	-9.59(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,3S)-2-[[(3S,4S)-4-amino-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CC(C(CC1=CC=CC=C1)N)O

DOS

IR

Vibrations