Geometry & MOs

Info

ID:	297282
PubChem CID:	117614378
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	465.299142
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	7.61
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-3-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)NC2=C(C=CC(=C2)[C@@H]3C[C@@H]3C(=O)O)N(CC(C)C)C4CCCCC4

DOS

IR

Vibrations