Geometry & MOs

Info

ID:	44514
PubChem CID:	10503862
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-197.53
Dipole, Da:	1.53
IP(EA), eV:	-8.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N[C@@H](C)C(=O)OC)N)C)O

DOS

IR

Vibrations