Geometry & MOs

Info

ID:	444689
PubChem CID:	135263269
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	526.283158
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	4.32
IP(EA), eV:	-8.08(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-[1-[[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropyl]indol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)NC(=O)C4=O)N5CCCCC5

DOS

IR

Vibrations