Geometry & MOs

Info

ID:	440110
PubChem CID:	135230010
Reduced:	ClOF2N5C29H34 (1)
Stoich.:	ABC2D5E29F34 (1)
Weight, g/mol:	613.051882
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	1.81
IP(EA), eV:	-8.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(3-aminopropoxy)-2,6-dichlorobenzoyl]amino]-3-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1C3=CC=C(C=C3)OCCN4CCN(CC4)C)NCCN2CC5=C(C=CC(=C5Cl)CF)F

DOS

IR

Vibrations