Geometry & MOs

Info

ID:	169653
PubChem CID:	75132096
Reduced:	N3O5C25H45 (1)
Stoich.:	A3B5C25D45 (1)
Weight, g/mol:	600.2584
ΔH_f, kcal/mol:	-279.44
Dipole, Da:	3.5
IP(EA), eV:	-8.97(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCCN3CCOCC3)O)C)NC(=O)CCOC

DOS

IR

Vibrations