Geometry & MOs

Info

ID:	302213
PubChem CID:	124360350
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-170.07
Dipole, Da:	6.75
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations