Geometry & MOs

Info

ID:	224040
PubChem CID:	85337414
Reduced:	O4N5C28H31 (1)
Stoich.:	A4B5C28D31 (1)
Weight, g/mol:	504.12598
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	5.26
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-amino-3-[4-(2-bromobenzoyl)oxyphenyl]propanoyl]amino]methyl]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NN=C(O2)C(=O)C(C(C)C)NC(=O)C3CC4=CC=CC5=C4N3C(=O)C(CC5)N

DOS

IR

Vibrations